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84502-13-6 | Thiourea,N-(4-bromophenyl)-N'-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-
CAS No: 84502-13-6 Catalog No: AG004RZX MDL No:
Product Description
Catalog Number:
AG004RZX
Chemical Name:
Thiourea,N-(4-bromophenyl)-N'-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-
CAS Number:
84502-13-6
Molecular Formula:
C21H16BrClN4OS
Molecular Weight:
487.7999
IUPAC Name:
1-(4-bromophenyl)-3-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]thiourea
InChI:
InChI=1S/C21H16BrClN4OS/c22-13-1-4-15(5-2-13)24-21(29)25-16-6-8-17(9-7-16)28-12-20-26-18-10-3-14(23)11-19(18)27-20/h1-11H,12H2,(H,26,27)(H2,24,25,29)
InChI Key:
RPLJGVCJYBWQGV-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)Br)Nc1ccc(cc1)OCc1[nH]c2c(n1)ccc(c2)Cl
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.992g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
487.8g/mol
Monoisotopic Mass:
485.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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